ethyl 4-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-methylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(4-mesylpiperazino)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H30N4O5S/c1-3-29-20(26)23-11-9-22(10-12-23)19(25)18-6-4-5-17(15-18)16-21-7-13-24(14-8-21)30(2,27)28/h4-6,15H,3,7-14,16H2,1-2H3